⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL12161088 | 0.60 | — | — | |
| SCHEMBL588957 | 0.60 | — | — | |
| SCHEMBL15352383 | 0.60 | — | — | |
| SCHEMBL2099981 | 0.60 | — | — | |
| SCHEMBL16414699 | 0.60 | — | — | |
| SCHEMBL10076921 | 0.56 | — | — | |
| SCHEMBL11888287 | 0.56 | — | — | |
| SCHEMBL20868829 | 0.56 | — | — | |
| SCHEMBL21011941 | 0.47 | — | — | |
| SCHEMBL20888491 | 0.47 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10829792-B2 | Biocatalytic synthesis of strained carbocycles | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2020-11-10 | — | — | US | disclosed |
| US-20180305721-A1 | Biocatalytic Synthesis of Strained Carbocycles | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2018-10-25 | — | — | US | disclosed |
| WO-2018175628-A1 | BIOCATALYTIC SYNTHESIS OF STRAINED CARBOCYCLES | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2018-09-27 | — | — | WO | disclosed |